| Properties | Image |
|---|
| MNX_ID | MNXM1185462 |
 |
| reference | envipathM:...e4f089e99b77 |
| formula | C58H96O14 |
| global charge | -2 |
| mol weight | 1017.392 |
| InChIKey | CJGHXTSLXIPDPN-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O14/c1-3-4-5-16-24-33-48-49(70-48)34-25-18-14-21-27-37-55(62)67-43-46(44-68-56(63)38-28-22-15-19-26-35-50-52(71-50)42-53-51(72-53)36-30-31-40-59)69-57(64)39-29-20-13-11-9-7-6-8-10-12-17-23-32-45(2)47(58(65)66)41-54(60)61/h6,8,16,24,45-53,59H,3-5,7,9-15,17-23,25-44H2,1-2H3,(H,60,61)(H,65,66)/p-2 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)OC(=O)CCCCCCCC=CCCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O14/c1-3-4-5-16-24-33-48-49(70-48)34-25-18-14-21-27-37-55(62)67-43-46(44-68-56(63)38-28-22-15-19-26-35-50-52(71-50)42-53-51(72-53)36-30-31-40-59)69-57(64)39-29-20-13-11-9-7-6-8-10-12-17-23-32-45(2)47(58(65)66)41-54(60)61/h6,8,16,24,45-53,59H,3-5,7,9-15,17-23,25-44H2,1-2H3,(H,60,61)(H,65,66)/b8-6?,24-16?/t45?,46?,47?,48?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH:16]=[CH:24][CH2:33][CH:48]1[CH:49]([CH2:34][CH2:25][CH2:18][CH2:14][CH2:21][CH2:27][CH2:37][C:55](=[O:62])[O:67][CH2:43][CH:46]([CH2:44][O:68][C:56]([CH2:38][CH2:28][CH2:22][CH2:15][CH2:19][CH2:26][CH2:35][CH:50]2[CH:52]([CH2:42][CH:53]3[CH:51]([CH2:36][CH2:30][CH2:31][CH2:40][OH:59])[O:72]3)[O:71]2)=[O:63])[O:69][C:57]([CH2:39][CH2:29][CH2:20][CH2:13][CH2:11][CH2:9][CH2:7][CH:6]=[CH:8][CH2:10][CH2:12][CH2:17][CH2:23][CH2:32][CH:45]([CH3:2])[CH:47]([CH2:41][C:54](=[O:60])[OH:61])[C:58](=[O:65])[OH:66])=[O:64])[O:70]1 |
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